SCHEMBL4092189

SCHEMBL4092189

COC(=O)C12CC3CC(C1)C(N1CC(Cc4ccc(Cl)cc4)NC1=O)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.39
HSD11B2 P80365 10/20 0.38
SCN9A Q15858 2/20 0.37
P2RX7 Q99572 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4092563 0.83 HSD11B1 (0.39) HSD11B1SCN9AP2RX7
SCHEMBL4088110 0.81 SCN9A (0.39) HSD11B1HSD11B2SCN9AP2RX7
SCHEMBL4088428 0.72 HSD11B1 (0.39) HSD11B1HSD11B2SCN9AMAPK1NPSR1
SCHEMBL328911 0.69 HSD11B1 (0.49) HSD11B1HSD11B2SCN9A
SCHEMBL4088360 0.68 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL75902 0.68 HSD11B1 (0.39) HSD11B1HSD11B2SCN9AP2RX7MAPK1
SCHEMBL4083851 0.67 SCN9A (0.39) HSD11B1HSD11B2SCN9AP2RX7
SCHEMBL4079039 0.67 SCN9A (0.43) HSD11B1HSD11B2SCN9AMAPK1NPSR1
SCHEMBL2170311 0.66 P2RX7 (0.40) HSD11B1SCN9AP2RX7NPSR1
SCHEMBL4258533 0.66 ALDH1A1 (0.36) HSD11B1HSD11B2SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed